6-(hydroxymethyl)-3-oxidanyl-2-(pyrrolidin-1-ium-1-ylmethyl)pyran-4-one

Systemtic Name: 6-(hydroxymethyl)-3-oxidanyl-2-(pyrrolidin-1-ium-1-ylmethyl)pyran-4-one Openeye Name: 3-hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ium-1-ylmethyl)pyran-4-one CAS Name: 3-hydroxy-6-(hydroxymethyl)-2-(1-pyrrolidin-1-iumylmethyl)-4-pyranone IUPAC Name: 3-hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ium-1-ylmethyl)pyran-4-one Traditional Name: 3-hydroxy-6-methylol-2-(pyrrolidin-1-ium-1-ylmethyl)pyran-4-one Formula: C11H16NO4+ MolecularWeight: 226.24904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C(=O)C=C(O2)CO)O

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C(=O)C=C(O2)CO)O

InChI

InChI=1S/C11H15NO4/c13-7-8-5-9(14)11(15)10(16-8)6-12-3-1-2-4-12/h5,13,15H,1-4,6-7H2/p+1